2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-pyrido[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-phenyl-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-phenyl-pyrido[2,3-d]pyrimidin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-18(24-13-6-1-2-7-14-24)15-28-21-23-19-17(11-8-12-22-19)20(27)25(21)16-9-4-3-5-10-16/h3-5,8-12H,1-2,6-7,13-15H2